1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+)

C40H28N4OPt — CID 153429035

IUPAC1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+)
SMILESCn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccc(-c6ccccc6)cc5n4C)ccc3)ccc2)nc2ccc(-c3ccccc3)cc21.[Pt+2]
InChIInChI=1S/C40H28N4O.Pt/c1-43-37-25-29(27-11-5-3-6-12-27)19-21-35(37)41-39(43)31-15-9-17-33(23-31)45-34-18-10-16-32(24-34)40-42-36-22-20-30(26-38(36)44(40)2)28-13-7-4-8-14-28;/h3-22,25-26H,1-2H3;/q-2;+2
InChIKeyOZFFDJPRONLLMA-UHFFFAOYSA-N
MW775.77 g/mol
LogP9.52
Rot. Bonds6

About 1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+)

1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+) (PubChem CID 153429035) has the molecular formula C40H28N4OPt and a molecular weight of 775.77 g/mol. Its IUPAC name is 1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+).

Molecular Properties

Compound Name1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+)
PubChem CID153429035
Molecular FormulaC40H28N4OPt
Molecular Weight775.77 g/mol
Exact Mass775.19
IUPAC Name1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+)
SMILESCn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccc(-c6ccccc6)cc5n4C)ccc3)ccc2)nc2ccc(-c3ccccc3)cc21.[Pt+2]
InChIInChI=1S/C40H28N4O.Pt/c1-43-37-25-29(27-11-5-3-6-12-27)19-21-35(37)41-39(43)31-15-9-17-33(23-31)45-34-18-10-16-32(24-34)40-42-36-22-20-30(26-38(36)44(40)2)28-13-7-4-8-14-28;/h3-22,25-26H,1-2H3;/q-2;+2
InChIKeyOZFFDJPRONLLMA-UHFFFAOYSA-N
XLogP9.52
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.77
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 12738431
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CID 153285522
5-[dideuterio(fluoro)methyl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-2H-naphthalen-2-id-1-yl]benzimidazole;platinum(2+)
CID 177293847
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
CID 175716577
2,6-dimethyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-10-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]benzene-2-id-1-yl]oxy-9H-[1]benzofuro[2,3-c][1,5]naphthyridin-9-ide;platinum(2+)
CID 176823345
1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole
CID 162138399
2-(1-methylbenzimidazol-2-yl)-4,6-diphenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 153285370
CID 176823768
CID 176823768
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CID 171806435
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+)?
The IUPAC name of 1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+) (CID 153429035) is 1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+).
What is the SMILES notation for 1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+)?
The canonical SMILES for 1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+) is Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccc(-c6ccccc6)cc5n4C)ccc3)ccc2)nc2ccc(-c3ccccc3)cc21.[Pt+2].
What is the InChIKey of 1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+)?
The InChIKey is OZFFDJPRONLLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4O.Pt/c1-43-37-25-29(27-11-5-3-6-12-27)19-21-35(37)41-39(43)31-15-9-17-33(23-31)45-34-18-10-16-32(24-34)40-42-36-22-20-30(26-38(36)44(40)2)28-13-7-4-8-14-28;/h3-22,25-26H,1-2H3;/q-2;+2.
What are the key properties of 1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+)?
1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+) has a molecular weight of 775.77 g/mol, XLogP of 9.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-[3-(1-methyl-6-phenylbenzimidazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-6-phenylbenzimidazole;platinum(2+) is sourced from PubChem (CID 153429035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).